ethyl 2-[4-[(cyclopropylamino)methyl]-3,5-dimethylpyrazol-1-yl]pentanoate

C16H27N3O2 — CID 83039881

IUPACethyl 2-[4-[(cyclopropylamino)methyl]-3,5-dimethylpyrazol-1-yl]pentanoate
SMILESCCCC(C(=O)OCC)n1nc(C)c(CNC2CC2)c1C
InChIInChI=1S/C16H27N3O2/c1-5-7-15(16(20)21-6-2)19-12(4)14(11(3)18-19)10-17-13-8-9-13/h13,15,17H,5-10H2,1-4H3
InChIKeyBADQCSBYHRSDIY-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.66
Rot. Bonds8

About ethyl 2-[4-[(cyclopropylamino)methyl]-3,5-dimethylpyrazol-1-yl]pentanoate

ethyl 2-[4-[(cyclopropylamino)methyl]-3,5-dimethylpyrazol-1-yl]pentanoate (PubChem CID 83039881) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is ethyl 2-[4-[(cyclopropylamino)methyl]-3,5-dimethylpyrazol-1-yl]pentanoate.

Molecular Properties

Compound Nameethyl 2-[4-[(cyclopropylamino)methyl]-3,5-dimethylpyrazol-1-yl]pentanoate
PubChem CID83039881
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Nameethyl 2-[4-[(cyclopropylamino)methyl]-3,5-dimethylpyrazol-1-yl]pentanoate
SMILESCCCC(C(=O)OCC)n1nc(C)c(CNC2CC2)c1C
InChIInChI=1S/C16H27N3O2/c1-5-7-15(16(20)21-6-2)19-12(4)14(11(3)18-19)10-17-13-8-9-13/h13,15,17H,5-10H2,1-4H3
InChIKeyBADQCSBYHRSDIY-UHFFFAOYSA-N
XLogP2.66
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[4-[(cyclopropylamino)methyl]-3,5-dimethylpyrazol-1-yl]acetate
CID 43648049
ethyl 2-[4-[(cyclopropylamino)methyl]imidazol-1-yl]pentanoate
CID 106719963
ethyl 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)butanoate
CID 64662065
2-[4-[(cyclopropylamino)methyl]-3,5-dimethylpyrazol-1-yl]-N-ethyl-N-methylacetamide
CID 43648061
N-[(1-heptyl-3,5-dimethylpyrazol-4-yl)methyl]cyclopropanamine
CID 43648067
N-[(3,5-dimethyl-1-nonylpyrazol-4-yl)methyl]cyclopropanamine
CID 43648066
2-[4-[(cyclopropylamino)methyl]-3,5-dimethylpyrazol-1-yl]-N,N-dimethylacetamide
CID 43648085
2-[4-[(cyclopropylamino)methyl]-3,5-dimethylpyrazol-1-yl]-N-pentan-3-ylacetamide
CID 61489671
4-[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methylamino]cyclohexane-1-carboxylic acid
CID 120509775
N-[[3,5-dimethyl-1-(2-propoxyethyl)pyrazol-4-yl]methyl]cyclopropanamine
CID 106455227
2-[3,5-dimethyl-4-(propylaminomethyl)pyrazol-1-yl]butanamide
CID 62900065
4-[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methylamino]cyclohexan-1-ol
CID 109479351

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[(cyclopropylamino)methyl]-3,5-dimethylpyrazol-1-yl]pentanoate?
The IUPAC name of ethyl 2-[4-[(cyclopropylamino)methyl]-3,5-dimethylpyrazol-1-yl]pentanoate (CID 83039881) is ethyl 2-[4-[(cyclopropylamino)methyl]-3,5-dimethylpyrazol-1-yl]pentanoate.
What is the SMILES notation for ethyl 2-[4-[(cyclopropylamino)methyl]-3,5-dimethylpyrazol-1-yl]pentanoate?
The canonical SMILES for ethyl 2-[4-[(cyclopropylamino)methyl]-3,5-dimethylpyrazol-1-yl]pentanoate is CCCC(C(=O)OCC)n1nc(C)c(CNC2CC2)c1C.
What is the InChIKey of ethyl 2-[4-[(cyclopropylamino)methyl]-3,5-dimethylpyrazol-1-yl]pentanoate?
The InChIKey is BADQCSBYHRSDIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-5-7-15(16(20)21-6-2)19-12(4)14(11(3)18-19)10-17-13-8-9-13/h13,15,17H,5-10H2,1-4H3.
What are the key properties of ethyl 2-[4-[(cyclopropylamino)methyl]-3,5-dimethylpyrazol-1-yl]pentanoate?
ethyl 2-[4-[(cyclopropylamino)methyl]-3,5-dimethylpyrazol-1-yl]pentanoate has a molecular weight of 293.41 g/mol, XLogP of 2.66, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-[(cyclopropylamino)methyl]-3,5-dimethylpyrazol-1-yl]pentanoate is sourced from PubChem (CID 83039881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).